Molecular Identity
CANRENONE
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
PubChem CID: 13789
Canrenone is a steroid lactone.
2D Structure
Properties
C22H28O3
Molecular Formula
340.50
Molecular Weight
g/mol
340.2038
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
43.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
719
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CANRENONE976-71-6AldadieneSC-9376CanrenonumDTXSID3045930Spironolactone metabolite m178O20X9J0USC9376NSC-261713DTXCID1025930Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone (17alpha)-(1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-6',8'-diene-5,5'-dione(1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro(oxolane-2,14'-tetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecane)-6',8'-diene-5,5'-dioneRefChem:123246
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CANRENONE
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